Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HA1 | P13674 | 3/20 | 0.58 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.58 |
| ▸ | LDHA | P00338 | 3/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4651497 | 0.81 | LDHA (0.62) | P4HA1P4HTMLDHAMIFALDH1A1 | |
| SCHEMBL26323610 | 0.80 | P4HA1 (0.77) | P4HA1P4HTMLDHAMIFALDH1A1 | |
| SCHEMBL24066438 | 0.79 | CCR1 (0.60) | KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5934337 | 0.78 | RAB9A (0.54) | P4HTMALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL5428820 | 0.77 | LDHA (0.71) | P4HA1P4HTMLDHAMIFALDH1A1 | |
| SCHEMBL5934138 | 0.76 | SMN1; SMN2 (0.57) | P4HTMALDH1A1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4653904 | 0.76 | P4HA1 (0.54) | P4HA1P4HTMLDHAMIFMAP4K4 | |
| SCHEMBL5934392 | 0.76 | KCNQ3 (0.55) | P4HTMALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL68560 | 0.75 | P4HTM (1.00) | P4HA1P4HTMLDHAMIFALDH1A1 | |
| SCHEMBL29397057 | 0.75 | P4HTM (1.00) | P4HA1P4HTMLDHAMIFALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |